# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 106.32 5.42 10.79 17.66 113.74 -148.48 -90.15 133.76 99.89 0.07 0.04 99.76 0.12 0.06 0.02 0.00 0.00 0.03 0.01 1 N C C 101.44 2.62 10.58 14.37 107.85 -139.19 -83.94 128.30 76.18 0.82 23.00 71.20 1.06 4.75 20.56 1.63 0.00 0.34 0.47 2 A H H 74.28 3.15 9.13 13.85 95.33 -114.39 -67.47 -31.75 35.03 0.62 64.34 20.07 7.04 10.05 56.38 5.86 0.02 0.28 0.30 3 K H H 141.32 1.41 11.10 12.94 93.39 55.78 -67.30 -36.55 22.89 0.47 76.64 10.74 4.55 8.86 65.95 9.42 0.04 0.25 0.20 4 S H H 68.28 1.91 11.35 13.95 93.35 52.17 -67.92 -36.89 20.84 0.52 78.65 10.72 3.76 7.48 68.53 8.98 0.03 0.30 0.19 5 F H H 114.10 3.24 10.89 15.53 94.50 51.67 -70.20 -34.40 21.64 0.53 77.83 11.82 4.24 7.22 69.82 6.38 0.02 0.28 0.21 6 D H H 86.22 2.67 12.48 16.18 94.23 57.93 -66.93 -37.94 23.59 0.36 76.05 12.27 4.30 8.14 71.74 3.22 0.01 0.17 0.16 7 G H H 40.61 2.17 13.07 15.74 93.70 51.09 -65.73 -38.55 26.11 0.33 73.56 10.85 4.10 12.09 69.26 3.37 0.02 0.15 0.16 8 M H H 104.67 2.24 12.44 15.35 93.20 53.28 -66.95 -38.70 19.62 0.41 79.97 9.53 3.34 7.92 75.25 3.55 0.02 0.20 0.18 9 H H H 106.23 2.98 11.95 16.19 93.03 53.40 -65.74 -39.64 13.23 0.60 86.17 7.02 2.21 5.19 81.79 3.20 0.02 0.34 0.22 10 K H H 126.30 1.78 12.85 14.97 92.72 52.27 -65.63 -39.85 9.38 0.46 90.16 4.27 1.52 4.42 85.78 3.53 0.03 0.29 0.15 11 L H H 101.15 1.54 12.74 14.27 92.29 50.76 -65.82 -40.57 4.67 0.15 95.19 1.51 0.69 2.63 90.00 5.02 0.02 0.09 0.04 12 W H H 142.68 2.84 11.52 15.59 93.28 50.28 -67.32 -38.08 4.20 0.12 95.68 1.19 0.55 2.47 89.39 6.30 0.01 0.07 0.03 13 M H H 110.66 3.01 11.43 15.74 93.57 51.63 -68.82 -34.74 9.15 0.21 90.64 1.60 0.98 6.52 83.56 7.09 0.05 0.13 0.07 14 I H H 121.94 1.36 12.60 13.80 95.83 47.18 -75.88 -32.46 17.73 0.24 82.03 2.26 2.03 13.73 77.46 4.18 0.10 0.12 0.11 15 M H H 120.20 2.22 11.84 14.62 100.88 46.41 -88.97 -22.49 36.09 0.64 63.27 8.51 12.53 17.12 58.92 2.12 0.15 0.20 0.46 16 N C C 80.23 4.37 11.00 17.08 106.67 35.43 -102.12 91.66 90.58 0.41 9.01 78.37 8.21 3.10 9.16 0.78 0.00 0.15 0.22 17 P H H 78.22 4.36 11.34 17.78 94.47 -169.48 -62.68 -33.17 23.32 0.25 76.43 12.11 3.10 8.80 72.42 3.34 0.01 0.11 0.12 18 V H H 91.15 2.26 13.90 16.62 92.92 54.27 -65.19 -39.97 11.15 0.14 88.71 3.43 1.47 6.18 85.65 3.12 0.01 0.07 0.06 19 S H H 56.92 2.88 14.13 17.81 92.78 50.97 -65.71 -39.92 7.24 0.21 92.55 3.11 0.97 3.27 88.99 3.46 0.01 0.13 0.07 20 T H H 64.27 3.66 13.10 18.22 92.48 50.87 -65.22 -40.78 3.75 0.13 96.12 1.82 0.47 1.47 94.86 1.25 0.00 0.08 0.04 21 L H H 93.89 2.35 14.26 17.11 92.13 50.67 -65.00 -40.97 1.34 0.03 98.63 0.55 0.14 0.57 98.39 0.33 0.00 0.01 0.01 22 W H H 150.39 1.68 14.88 16.22 92.02 49.90 -65.19 -41.43 0.54 0.00 99.46 0.20 0.04 0.23 99.40 0.13 0.00 0.00 0.00 23 A H H 56.67 2.35 13.99 16.94 91.78 50.35 -64.01 -41.01 0.35 0.00 99.65 0.09 0.02 0.18 99.62 0.09 0.00 0.00 0.00 24 I H H 94.15 2.47 14.01 17.06 91.89 49.84 -65.09 -40.83 0.29 0.00 99.70 0.05 0.01 0.18 99.69 0.07 0.00 0.00 0.00 25 F H H 118.07 2.05 14.34 16.60 91.95 50.42 -64.54 -40.83 0.30 0.00 99.70 0.04 0.01 0.19 99.70 0.05 0.00 0.00 0.00 26 I H H 99.44 1.60 14.78 15.91 91.84 50.06 -64.80 -41.59 0.20 0.00 99.80 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 27 F H H 118.88 1.95 14.31 16.31 91.95 49.69 -65.02 -40.84 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 28 Q H H 100.52 2.53 13.88 17.07 91.91 50.53 -64.62 -40.65 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 29 I H H 101.91 1.85 14.62 16.38 91.95 49.87 -64.93 -41.06 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 30 F H H 122.62 1.59 15.39 16.32 92.11 49.62 -64.81 -41.57 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.01 0.00 0.00 0.00 31 L H H 89.31 2.29 14.98 17.45 91.94 49.51 -64.53 -41.65 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 32 G H H 33.19 3.38 13.66 18.45 91.55 51.05 -63.11 -41.56 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 33 L H H 96.55 1.84 15.43 16.97 91.80 50.15 -64.78 -40.74 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 34 L H H 95.08 1.75 15.46 16.72 91.91 50.21 -64.58 -41.58 0.20 0.00 99.80 0.01 0.01 0.15 99.80 0.03 0.00 0.00 0.00 35 I H H 89.95 2.84 14.32 17.80 92.01 49.60 -64.53 -41.94 0.29 0.00 99.71 0.03 0.01 0.21 99.65 0.10 0.00 0.00 0.00 36 H H H 101.28 3.23 13.57 17.90 91.87 50.53 -63.94 -40.97 0.51 0.00 99.49 0.04 0.02 0.40 99.29 0.24 0.00 0.00 0.00 37 M H H 110.93 1.48 14.35 15.38 92.01 50.13 -64.63 -41.17 0.75 0.00 99.25 0.05 0.04 0.62 98.83 0.46 0.00 0.00 0.00 38 V H H 89.27 1.71 13.52 15.20 92.35 49.38 -65.45 -41.02 1.77 0.01 98.22 0.13 0.11 1.49 97.48 0.79 0.00 0.00 0.00 39 V H H 81.37 3.30 11.31 16.06 93.02 48.72 -66.57 -38.45 6.41 0.03 93.55 0.59 0.51 5.23 92.34 1.29 0.02 0.02 0.01 40 L H H 113.99 2.05 11.12 14.10 93.58 50.38 -71.21 -26.72 24.13 0.23 75.64 3.66 2.86 17.88 72.94 2.36 0.07 0.10 0.14 41 S C H 85.38 1.29 11.05 12.55 97.60 55.87 -82.93 -9.75 53.47 0.86 45.67 15.11 7.59 31.40 42.38 2.64 0.05 0.34 0.49 42 S C C 70.00 3.42 9.31 14.35 113.37 77.98 -90.46 140.72 78.13 1.40 20.48 36.33 22.70 18.96 17.42 3.19 0.01 0.52 0.88 43 D C C 119.32 1.50 11.70 13.89 103.90 -116.14 -80.22 73.52 94.32 0.76 4.92 71.36 11.79 11.23 3.14 1.66 0.00 0.36 0.47 44 L C C 96.13 5.60 8.47 15.88 107.64 162.54 -87.03 97.36 93.69 0.95 5.36 75.37 10.98 7.39 2.90 2.23 0.00 0.43 0.69 45 N C C 93.74 3.71 10.81 16.13 105.55 -144.71 -91.93 92.62 92.28 1.40 6.33 80.32 6.03 6.10 3.06 2.83 0.00 0.63 1.04 46 W C T 153.11 4.75 9.29 15.88 96.12 146.09 -71.81 -22.34 70.84 1.36 27.80 24.15 11.65 35.75 7.66 19.29 0.01 0.66 0.84 47 H C T 134.07 2.62 9.56 13.57 98.50 58.60 -87.08 -2.81 68.81 1.62 29.57 20.86 11.77 37.01 8.08 20.45 0.01 0.80 1.00 48 D C C 100.89 2.87 9.40 13.90 103.83 87.21 -83.79 25.10 68.47 1.94 29.58 33.68 15.81 19.52 7.33 21.58 0.01 0.87 1.21 49 D C C 113.34 2.25 9.75 13.42 104.24 51.17 -87.42 48.60 83.03 1.30 15.67 39.41 20.36 23.80 4.94 10.04 0.00 0.56 0.88 50 Q C C 131.00 2.67 9.34 13.71 109.83 143.43 -88.59 116.48 89.83 1.65 8.53 53.48 22.99 13.47 2.72 5.53 0.00 0.73 1.08 51 I C C 107.49 4.12 8.63 14.77 117.03 -150.14 -97.80 130.69 96.37 2.24 1.39 69.64 25.84 1.08 0.84 0.50 0.00 0.90 1.20 52 P C C 92.14 3.59 9.77 15.34 112.89 -111.40 -66.34 144.78 91.54 2.80 5.66 85.40 4.05 2.51 3.62 1.64 0.00 1.42 1.35 53 V C C 110.57 3.15 8.63 13.68 113.55 -134.83 -93.52 132.08 73.15 2.77 24.08 54.59 9.49 8.86 16.03 8.18 0.00 1.52 1.33 54 G C C 52.22 2.83 9.51 13.88 113.89 -86.18 -104.27 153.53 67.07 3.32 29.61 47.45 9.47 9.90 19.42 10.50 0.01 1.98 1.26 55 Y C C 166.81 2.83 8.59 13.13 108.79 -145.33 -89.31 96.67 55.33 4.07 40.61 37.64 9.45 8.42 28.37 12.30 0.03 2.53 1.26 56 Q C C 128.89 2.38 9.17 13.17 112.22 -148.61 -90.80 123.71 54.19 4.52 41.29 38.63 8.32 7.60 31.60 9.61 0.03 2.91 1.30 57 L C C 116.78 3.33 8.02 13.14 108.33 -138.11 -85.54 101.06 55.23 4.19 40.59 39.50 8.11 8.06 31.79 8.58 0.02 2.65 1.29 58 Q C C 139.15 1.82 8.66 11.96 108.22 64.32 -86.57 104.51 58.37 3.67 37.96 34.60 10.28 14.16 29.29 8.15 0.05 2.18 1.30 59 G C C 58.44 1.79 9.16 12.24 106.56 10.12 29.29 15.69 68.83 2.71 28.45 34.41 15.74 19.27 19.45 8.54 0.04 1.41 1.14 60 E C C 142.86 1.97 8.48 12.02 111.37 111.99 -89.34 127.61 78.13 4.00 17.87 51.15 17.65 9.29 11.98 6.18 0.01 2.28 1.47 61 T C C 110.01 1.62 8.32 11.44 113.90 -133.17 -90.05 132.88 79.90 7.74 12.36 60.42 12.41 6.41 8.98 3.95 0.01 4.62 3.21 62 L C C 119.62 2.81 6.81 11.69 116.06 -128.66 -91.00 135.07 88.63 5.10 6.27 70.82 15.63 1.92 5.73 1.13 0.00 3.06 1.71 63 P C C 108.80 1.65 8.39 11.53 111.25 -106.57 -70.86 138.67 83.39 5.02 11.59 73.00 6.22 3.60 10.43 1.86 0.00 3.38 1.51 64 V C C 113.89 2.35 7.05 11.27 113.92 -154.27 -95.78 133.42 72.05 5.99 21.95 58.11 8.62 4.62 19.90 3.01 0.01 3.76 1.96 65 N C C 121.50 1.65 8.42 11.41 110.49 -123.93 -88.32 117.42 69.92 5.00 25.08 59.88 5.03 4.52 22.72 3.12 0.00 3.42 1.31 66 L H H 123.00 2.23 7.24 11.24 106.51 -163.32 -85.77 88.08 43.78 3.51 52.71 32.68 6.30 6.04 45.45 6.24 0.02 2.43 0.84 67 E H H 144.31 1.40 8.36 10.87 108.39 61.07 -84.67 114.16 38.34 3.83 57.83 27.22 5.79 6.88 49.40 6.98 0.03 2.89 0.81 68 M H H 132.22 2.04 7.32 11.02 108.09 -139.98 -84.28 113.93 37.61 3.69 58.71 26.01 5.91 7.44 49.37 7.71 0.03 2.65 0.87 69 K H H 149.95 1.72 7.33 10.52 108.36 -129.30 -85.02 114.22 42.20 3.04 54.76 28.28 6.91 8.85 46.65 6.45 0.04 1.94 0.89 70 A C H 89.54 1.42 6.79 9.60 107.25 -111.07 -80.45 109.06 52.83 3.27 43.90 33.77 7.05 12.90 37.81 5.32 0.03 1.92 1.19 71 A C C 92.10 1.37 6.36 9.16 108.37 -128.80 -83.44 112.16 74.26 1.59 24.15 58.04 1.68 14.12 21.94 2.61 0.00 0.87 0.74 72 Q C C 141.34 1.77 9.15 12.37 109.69 -140.76 -88.87 115.23 99.84 0.07 0.09 99.58 0.14 0.17 0.06 0.01 0.00 0.04 0.01